N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide

C15H17N3O4 — CID 4552497

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O4/c1-9(2)10-3-5-11(6-4-10)22-8-13(19)17-12-7-16-15(21)18-14(12)20/h3-7,9H,8H2,1-2H3,(H,17,19)(H2,16,18,20,21)
InChIKeyQBOUNIUCMVESIK-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.20
Rot. Bonds5

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 4552497) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID4552497
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O4/c1-9(2)10-3-5-11(6-4-10)22-8-13(19)17-12-7-16-15(21)18-14(12)20/h3-7,9H,8H2,1-2H3,(H,17,19)(H2,16,18,20,21)
InChIKeyQBOUNIUCMVESIK-UHFFFAOYSA-N
XLogP1.20
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 1122227
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 976864
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 50881877
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522
N-(2-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158645

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 4552497) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is QBOUNIUCMVESIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9(2)10-3-5-11(6-4-10)22-8-13(19)17-12-7-16-15(21)18-14(12)20/h3-7,9H,8H2,1-2H3,(H,17,19)(H2,16,18,20,21).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 303.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 4552497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).